Hept-3-yne
Basic information
- CAS
2586-89-2- Standard SMILES
CCC#CCCC- InChIKey
KLYHSJRCIZOUHE-UHFFFAOYSA-N- Molecular formula
- C7H12
- Average molar mass
- 96.17 g/mol
- Monoisotopic mass
- 96.09390038
Names & identifiers
- Preferred name
- Hept-3-yne
- IUPAC
- hept-3-yne
- English name
- 3-HEPTYNE
- Molecular formula
- C7H12
- Molecular weight
- 96.17
Names & synonyms
3-HeptyneHept-3-yne1-Ethyl-2-propylacetyleneASI2RQ5WEIUNII-ASI2RQ5WEIEINECS 219-967-7DTXSID10180509RefChem:145588DTXCID00103000219-967-7KLYHSJRCIZOUHE-UHFFFAOYSA-N2586-89-2
Show more names
3-HEPTYNE 97%ETHYL-N-PROPYLACETYLENE3-HEPTYNE, 98%3-HEPTYNE, 98%3-HEPTYNE, 98%3-HEPTYNE, 98%
MFCD000399603-Heptyne, 97%SCHEMBL56357SCHEMBL155811SCHEMBL157713SCHEMBL2051368SCHEMBL2118121SCHEMBL2120614
Database identifiers
- CAS
2586-89-2- PubChem CID
- 75755
- DTXSID
DTXSID10180509- UNII
- ASI2RQ5WEI
- EC Number
- 219-967-7
- Nikkaji
- J132.798D
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 0 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 0
- Rotatable bonds
- 1
- Heavy atoms
- 7
- Formal charge
- 0
- Complexity
- 78.7
Experimental & physicochemical properties
SpringerMaterials PropertiesBoiling point
Physicochemical properties
- Melting point
- -130.5 °C · -130.5°C
- Boiling point
- 105 · 105-106 °C(lit.)
- Density
- 0.741 g/mL · 0.741 g/mL at 25 °C(lit.)
- refractive index
- 20 · n20/D 1.4225(lit.)
- Flash point
- 2 °F · 2 °F
- Specific Gravity
- 0.7337 · 0.7337 (25/4℃)
- Henry's Law Constant
- 2.2 · 2.2×10-4 mol/(m3Pa) at 25℃, Yaws (2003)
- CAS DataBase Reference
- 2586 · 2586-89-2(CAS DataBase Reference)
- FDA UNII
- 2 RQ5WEI · ASI2RQ5WEI
- Symbol(GHS)
- 2 · GHS02,GHS07
- Signal word
- Danger
- Hazard statements
- 225 · H225-H315-H319-H335
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]
P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P331, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 48 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesFlam. Liq. 2 (100%)
Safety data
- wgk
- 3
- ridadr
- UN 3295 3/PG 1
- risk_code
- 11-36/37/38
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07
- hazard_code
- F,Xi
- safety_code
- 16-26-36/37/39
- hazard_class
- 3
- Hazard statements
- H225-H315-H319-H335
- Precautionary statements
- P303+P361+P353-P405-P501a-P210-P261-P305+P351+P338
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…